Hexane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational503.61kJ mol-1
Total (Trans. + Rot. + Vib.)513.53kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational98.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.45J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational113.93J mol-1 K-1
Vibrational94.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.59J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-166.78kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 65.92 cm-1 View
  • 2 92.36 cm-1 View
  • 3 120.14 cm-1 View
  • 4 160.44 cm-1 View
  • 5 194.94 cm-1 View
  • 6 200.77 cm-1 View
  • 7 333.57 cm-1 View
  • 8 400.98 cm-1 View
  • 9 506.03 cm-1 View
  • 10 760.62 cm-1 View
  • 11 793.82 cm-1 View
  • 12 857.67 cm-1 View
  • 13 932.76 cm-1 View
  • 14 952.82 cm-1 View
  • 15 964.16 cm-1 View
  • 16 987.89 cm-1 View
  • 17 1098.65 cm-1 View
  • 18 1116.89 cm-1 View
  • 19 1117.60 cm-1 View
  • 20 1130.67 cm-1 View
  • 21 1132.34 cm-1 View
  • 22 1148.23 cm-1 View
  • 23 1150.64 cm-1 View
  • 24 1160.38 cm-1 View
  • 25 1163.79 cm-1 View
  • 26 1164.12 cm-1 View
  • 27 1220.66 cm-1 View
  • 28 1284.78 cm-1 View
  • 29 1354.82 cm-1 View
  • 30 1383.61 cm-1 View
  • 31 1385.84 cm-1 View
  • 32 1409.13 cm-1 View
  • 33 1409.16 cm-1 View
  • 34 1410.17 cm-1 View
  • 35 1411.82 cm-1 View
  • 36 1412.46 cm-1 View
  • 37 1412.78 cm-1 View
  • 38 1424.79 cm-1 View
  • 39 1431.07 cm-1 View
  • 40 1439.27 cm-1 View
  • 41 2938.48 cm-1 View
  • 42 2948.24 cm-1 View
  • 43 2956.69 cm-1 View
  • 44 2959.95 cm-1 View
  • 45 3027.71 cm-1 View
  • 46 3031.00 cm-1 View
  • 47 3033.95 cm-1 View
  • 48 3034.62 cm-1 View
  • 49 3078.70 cm-1 View
  • 50 3078.85 cm-1 View
  • 51 3084.50 cm-1 View
  • 52 3084.58 cm-1 View
  • 53 3181.65 cm-1 View
  • 54 3181.77 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy24.03kJ mol-1
Polar Solvation Energy-0.55kJ mol-1
Nonpolar Solvation Energy24.58kJ mol-1
Surface Area97.29Å2
Charge of Molecule0
Dipole0.00Debye